2-(3-fluorocyclobutyl)-1-(4-pyrazolo[1,5-a]pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)ethanone

C19H20FN5O — CID 170384391

IUPAC2-(3-fluorocyclobutyl)-1-(4-pyrazolo[1,5-a]pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)ethanone
SMILESO=C(CC1CC(F)C1)N1CCc2[nH]cnc2C1c1cc2ccccn2n1
InChIInChI=1S/C19H20FN5O/c20-13-7-12(8-13)9-17(26)24-6-4-15-18(22-11-21-15)19(24)16-10-14-3-1-2-5-25(14)23-16/h1-3,5,10-13,19H,4,6-9H2,(H,21,22)
InChIKeyNSEJRFZCKOKCIN-UHFFFAOYSA-N
MW353.40 g/mol
LogP2.67
Rot. Bonds3

About 2-(3-fluorocyclobutyl)-1-(4-pyrazolo[1,5-a]pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)ethanone

2-(3-fluorocyclobutyl)-1-(4-pyrazolo[1,5-a]pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)ethanone (PubChem CID 170384391) has the molecular formula C19H20FN5O and a molecular weight of 353.40 g/mol. Its IUPAC name is 2-(3-fluorocyclobutyl)-1-(4-pyrazolo[1,5-a]pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)ethanone.

Molecular Properties

Compound Name2-(3-fluorocyclobutyl)-1-(4-pyrazolo[1,5-a]pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)ethanone
PubChem CID170384391
Molecular FormulaC19H20FN5O
Molecular Weight353.40 g/mol
Exact Mass353.17
IUPAC Name2-(3-fluorocyclobutyl)-1-(4-pyrazolo[1,5-a]pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)ethanone
SMILESO=C(CC1CC(F)C1)N1CCc2[nH]cnc2C1c1cc2ccccn2n1
InChIInChI=1S/C19H20FN5O/c20-13-7-12(8-13)9-17(26)24-6-4-15-18(22-11-21-15)19(24)16-10-14-3-1-2-5-25(14)23-16/h1-3,5,10-13,19H,4,6-9H2,(H,21,22)
InChIKeyNSEJRFZCKOKCIN-UHFFFAOYSA-N
XLogP2.67
TPSA66.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.40
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(3-fluorocyclobutyl)-1-(4-pyrazolo[1,5-a]pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)ethanone with MolForge

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Related Compounds

(3-chloro-1-methylpyrazol-4-yl)-[(4R)-4-pyrazolo[1,5-a]pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
CID 170193642
(2-ethylpyrazol-3-yl)-[(4S)-4-pyrazolo[1,5-a]pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
CID 170384831
(4-pyrazolo[1,5-a]pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)-(1-pyridin-2-ylazetidin-3-yl)methanone
CID 170333266
(4-pyrazolo[1,5-a]pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)-(1,3-thiazol-5-yl)methanone
CID 170332717
[(4S)-4-pyrazolo[1,5-a]pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[2-(trifluoromethyl)pyrazol-3-yl]methanone
CID 169164964
[5-(1-fluoroethyl)-1H-pyrazol-4-yl]-[(4S)-4-pyrazolo[1,5-a]pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
CID 170393545
(3-amino-1-methylpyrazol-5-yl)-(4-pyrazolo[1,5-a]pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone
CID 170333809
(4-pyrazolo[1,5-a]pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)-[4-(trifluoromethyl)-1,3-oxazol-5-yl]methanone
CID 170332255
(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-(4-pyrazolo[1,5-a]pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone
CID 170332771
(2-propan-2-ylpyrazol-3-yl)-[(4R)-4-pyrazolo[1,5-a]pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
CID 170333490
[2-(2-fluoropropan-2-yl)-1,3-oxazol-5-yl]-(4-pyrazolo[1,5-a]pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone
CID 170332838
[2-(2-fluoropropan-2-yl)-1,3-oxazol-5-yl]-[(4S)-4-pyrazolo[1,5-a]pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
CID 169165334

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorocyclobutyl)-1-(4-pyrazolo[1,5-a]pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)ethanone?
The IUPAC name of 2-(3-fluorocyclobutyl)-1-(4-pyrazolo[1,5-a]pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)ethanone (CID 170384391) is 2-(3-fluorocyclobutyl)-1-(4-pyrazolo[1,5-a]pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)ethanone.
What is the SMILES notation for 2-(3-fluorocyclobutyl)-1-(4-pyrazolo[1,5-a]pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)ethanone?
The canonical SMILES for 2-(3-fluorocyclobutyl)-1-(4-pyrazolo[1,5-a]pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)ethanone is O=C(CC1CC(F)C1)N1CCc2[nH]cnc2C1c1cc2ccccn2n1.
What is the InChIKey of 2-(3-fluorocyclobutyl)-1-(4-pyrazolo[1,5-a]pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)ethanone?
The InChIKey is NSEJRFZCKOKCIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN5O/c20-13-7-12(8-13)9-17(26)24-6-4-15-18(22-11-21-15)19(24)16-10-14-3-1-2-5-25(14)23-16/h1-3,5,10-13,19H,4,6-9H2,(H,21,22).
What are the key properties of 2-(3-fluorocyclobutyl)-1-(4-pyrazolo[1,5-a]pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)ethanone?
2-(3-fluorocyclobutyl)-1-(4-pyrazolo[1,5-a]pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)ethanone has a molecular weight of 353.40 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorocyclobutyl)-1-(4-pyrazolo[1,5-a]pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)ethanone is sourced from PubChem (CID 170384391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).